- Timestamp:
- Sep 19, 2013, 8:23:52 PM (11 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- a6ceab
- Parents:
- 1d3563
- git-author:
- Frederik Heber <heber@…> (08/16/13 11:47:48)
- git-committer:
- Frederik Heber <heber@…> (09/19/13 20:23:52)
- Location:
- src
- Files:
-
- 14 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ActionQueue.cpp
r1d3563 r690741 37 37 #include "Actions/ActionQueue.hpp" 38 38 39 #include "CodePatterns/Assert.hpp" 40 #include "CodePatterns/IteratorAdaptors.hpp" 39 41 #include "CodePatterns/Singleton_impl.hpp" 42 43 #include <vector> 40 44 41 45 using namespace MoleCuilder; … … 62 66 } 63 67 68 const ActionTrait& ActionQueue::getActionsTrait(const std::string name) const 69 { 70 // this const_cast is just required as long as we have a non-const getActionByName 71 const Action * const action = const_cast<ActionQueue *>(this)->getActionByName(name); 72 return action->Traits; 73 } 74 75 const ActionQueue::ActionTokens_t ActionQueue::getListOfActions() const 76 { 77 ActionTokens_t returnlist; 78 79 returnlist.insert( 80 returnlist.end(), 81 MapKeyConstIterator<ActionRegistry::const_iterator>(AR.getBeginIter()), 82 MapKeyConstIterator<ActionRegistry::const_iterator>(AR.getEndIter())); 83 84 return returnlist; 85 } 86 64 87 CONSTRUCT_SINGLETON(ActionQueue) -
src/Actions/ActionQueue.hpp
r1d3563 r690741 17 17 18 18 #include <list> 19 #include <vector> 19 20 20 21 #include "Actions/ActionRegistry.hpp" … … 33 34 friend class Singleton<ActionQueue>; 34 35 public: 36 typedef std::vector<std::string> ActionTokens_t; 35 37 typedef std::list<Action *> ActionQueue_t; 36 38 … … 57 59 int getLastPosition(const std::string &MenuName) const; 58 60 61 /** Returns the vector with the tokens of all currently known Actions. 62 * 63 * \return list of all tokens 64 */ 65 const ActionTokens_t getListOfActions() const; 66 67 /** Returns the trait to an Action. 68 * 69 * \param name name of Action 70 * \return const ref to its default Trait. 71 */ 72 const ActionTrait& getActionsTrait(const std::string name) const; 73 59 74 /** Getter function for the ActionRegistry for transitional purpose. 60 75 * … … 64 79 return AR; 65 80 } 66 67 81 68 82 private: -
src/Actions/CommandAction/HelpAction.cpp
r1d3563 r690741 79 79 // print list of actions or its options 80 80 ActionQueue &AQ = ActionQueue::getInstance(); 81 Action Registry &AR = AQ.getActionRegistry();81 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 82 82 if (params.actionname.get() == std::string("none")) { 83 83 // print list of all Actions 84 84 std::cout << "Here is a list of all available Actions:" << std::endl; 85 for(Action Registry::const_iterator iter = AR.getBeginIter();86 iter != AR.getEndIter();85 for(ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 86 iter != tokens.end(); 87 87 ++iter) { 88 const Action *instance = iter->second; 89 std::cout << "'" << iter->first << "': \t " 90 << instance->Traits.getDescription() << std::endl; 88 std::cout << "'" << *iter << "': \t " 89 << AQ.getActionsTrait(*iter).getDescription() << std::endl; 91 90 } 92 91 } else { -
src/Actions/OptionRegistry.cpp
r1d3563 r690741 71 71 //void OptionRegistry::Init() 72 72 //{ 73 // ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry(); 74 // for (ActionRegistry::const_iterator actioniter = AR.getBeginIter(); 75 // actioniter != AR.getEndIter(); 73 // ActionQueue &AQ = ActionQueue::getInstance(); 74 // ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 75 // for (ActionQueue::ActionTokens_t::const_iterator actioniter = tokens.begin(); 76 // actioniter != tokens.end(); 76 77 // ++actioniter) { 77 // Action* const currentAction = actioniter->second;78 // for (ActionTrait::options_const_iterator optioniter = current Action->Traits.getBeginIter();79 // optioniter != current Action->Traits.getEndIter();78 // const ActionTrait& currentTrait = AQ.getActionsTrait(*actioniter); 79 // for (ActionTrait::options_const_iterator optioniter = currentTrait.getBeginIter(); 80 // optioniter != currentTrait.getEndIter(); 80 81 // ++optioniter) { 81 82 // // wrap option in a shared_ptr to have it exist till and automatically removed at end of code 82 83 // std::string const &OptionName = optioniter->first; 83 // std::type_info const &typeDesired = *( (actioniter->second)->Traits.getOptionType(OptionName));84 // std::type_info const &typeDesired = *(currentTrait.getOptionType(OptionName)); 84 85 // if (isOptionPresentByName(OptionName)) { 85 86 // std::type_info const &typePresent = *(getOptionByName(OptionName)->getType()); … … 98 99 void OptionRegistry::ConsistencyCheck() 99 100 { 100 ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry(); 101 for (ActionRegistry::const_iterator actioniter = AR.getBeginIter(); 102 actioniter != AR.getEndIter(); 101 ActionQueue &AQ = ActionQueue::getInstance(); 102 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 103 for (ActionQueue::ActionTokens_t::const_iterator actioniter = tokens.begin(); 104 actioniter != tokens.end(); 103 105 ++actioniter) { 104 for (ActionTrait::options_const_iterator optioniter = (actioniter->second)->Traits.getBeginIter(); 105 optioniter != (actioniter->second)->Traits.getEndIter(); 106 const ActionTrait& currentTrait = AQ.getActionsTrait(*actioniter); 107 for (ActionTrait::options_const_iterator optioniter = currentTrait.getBeginIter(); 108 optioniter != currentTrait.getEndIter(); 106 109 ++optioniter) { 107 110 #ifndef NDEBUG 108 111 std::string const &OptionName = optioniter->first; 109 std::type_info const &typeDesired = *( (actioniter->second)->Traits.getOption(OptionName).getType());112 std::type_info const &typeDesired = *(currentTrait.getOption(OptionName).getType()); 110 113 std::type_info const &typePresent = *(getOptionByName(OptionName)->getType()); 111 114 #endif -
src/Actions/unittests/ActionRegistryUnitTest.cpp
r1d3563 r690741 61 61 void ActionRegistryTest::setUp() 62 62 { 63 AR = &ActionQueue::getInstance().getActionRegistry();64 63 }; 65 64 … … 74 73 std::map <std::string, std::string> result; 75 74 76 for (ActionRegistry::const_iterator iter = AR->getBeginIter(); iter != AR->getEndIter(); ++iter) { 77 if ((iter->second)->Traits.hasShortForm()) { 78 ASSERT(result.find((iter->second)->Traits.getShortForm()) == result.end(), 79 "Short form "+toString((iter->second)->Traits.getShortForm())+ 80 " for action "+toString(iter->first)+" already present from "+ 81 std::string(result[(iter->second)->Traits.getShortForm()])+"!"); 82 result[(iter->second)->Traits.getShortForm()] = (iter->second)->getName(); 75 ActionQueue &AQ = ActionQueue::getInstance(); 76 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 77 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 78 iter != tokens.end(); ++iter) { 79 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 80 if (CurrentTrait.hasShortForm()) { 81 ASSERT(result.find(CurrentTrait.getShortForm()) == result.end(), 82 "Short form "+toString(CurrentTrait.getShortForm())+ 83 " for action "+toString(*iter)+" already present from "+ 84 std::string(result[CurrentTrait.getShortForm()])+"!"); 85 result[CurrentTrait.getShortForm()] = *iter; 83 86 } 84 87 } -
src/Actions/unittests/ActionRegistryUnitTest.hpp
r1d3563 r690741 17 17 #include <cppunit/extensions/HelperMacros.h> 18 18 19 namespace MoleCuilder {20 class ActionRegistry;21 };22 23 19 /********************************************** Test classes **************************************/ 24 20 … … 33 29 void tearDown(); 34 30 void CheckDoublyUsedShortforms(); 35 36 private:37 MoleCuilder::ActionRegistry *AR;38 31 }; 39 32 -
src/UIElements/CommandLineUI/CommandLineParser.cpp
r1d3563 r690741 112 112 std::set<std::string> AlreadyAddedOptionNames; 113 113 114 ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry();115 114 bool ActionAlreadyAdded_flag = false; 116 for (ActionRegistry::const_iterator actioniter = AR.getBeginIter(); actioniter != AR.getEndIter(); ++actioniter) { 115 ActionQueue &AQ = ActionQueue::getInstance(); 116 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 117 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 118 iter != tokens.end(); ++iter) { 119 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 117 120 ActionAlreadyAdded_flag = false; 118 Action* const currentAction = actioniter->second;119 121 //std::cout << "Current Action to initialize is: " << actioniter->first << std::endl; 120 122 121 for (ActionTrait::options_const_iterator optioniter = currentAction->Traits.getBeginIter();122 optioniter != currentAction->Traits.getEndIter();123 for (ActionTrait::options_const_iterator optioniter = CurrentTrait.getBeginIter(); 124 optioniter != CurrentTrait.getEndIter(); 123 125 ++optioniter) { 124 if (optioniter->first == actioniter->first)126 if (optioniter->first == *iter) 125 127 ActionAlreadyAdded_flag = true; 126 128 ASSERT( OptionRegistry::getInstance().isOptionPresentByName(optioniter->first), … … 169 171 // std::cout << std::endl; 170 172 171 ASSERT(CmdParserLookup.find( currentAction->Traits.getMenuName()) != CmdParserLookup.end(),173 ASSERT(CmdParserLookup.find(CurrentTrait.getMenuName()) != CmdParserLookup.end(), 172 174 "CommandLineParser: boost::program_options::options_description for this Action not present."); 173 AddOptionToParser(dynamic_cast<const OptionTrait * const>(& (currentAction->Traits)),(CmdParserLookup[currentAction->Traits.getMenuName()]));175 AddOptionToParser(dynamic_cast<const OptionTrait * const>(&CurrentTrait),(CmdParserLookup[CurrentTrait.getMenuName()])); 174 176 } 175 177 } … … 482 484 std::map <std::string, std::string> result; 483 485 484 ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry(); 485 for (ActionRegistry::const_iterator iter = AR.getBeginIter(); iter != AR.getEndIter(); ++iter) 486 if ((iter->second)->Traits.hasShortForm()) { 487 ASSERT(result.find((iter->second)->Traits.getShortForm()) == result.end(), 488 "Short form "+toString((iter->second)->Traits.getShortForm())+ 489 " for action "+toString(iter->first)+" already present from "+ 490 std::string(result[(iter->second)->Traits.getShortForm()])+"!"); 491 result[(iter->second)->Traits.getShortForm()] = (iter->second)->getName(); 486 ActionQueue &AQ = ActionQueue::getInstance(); 487 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 488 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 489 iter != tokens.end(); ++iter) { 490 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 491 if (CurrentTrait.hasShortForm()) { 492 ASSERT(result.find(CurrentTrait.getShortForm()) == result.end(), 493 "Short form "+toString(CurrentTrait.getShortForm())+ 494 " for action "+toString(*iter)+" already present from "+ 495 std::string(result[CurrentTrait.getShortForm()])+"!"); 496 result[CurrentTrait.getShortForm()] = *iter; 492 497 } 498 } 493 499 494 500 return result; -
src/UIElements/CommandLineUI/unittests/CommandLineParser_ActionRegistry_ConsistencyUnitTest.cpp
r1d3563 r690741 62 62 void CommandLineParser_ActionRegistry_ConsistencyTest::setUp() 63 63 { 64 AR = &ActionQueue::getInstance().getActionRegistry();65 64 CLP = CommandLineParser::getPointer(); 66 65 }; … … 90 89 91 90 // go through all Actions and gather menu names 92 for (ActionRegistry::const_iterator iter = AR->getBeginIter(); 93 iter != AR->getEndIter(); 94 ++iter) { 95 const std::string &MenuName = (iter->second)->Traits.getMenuName(); 91 ActionQueue &AQ = ActionQueue::getInstance(); 92 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 93 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 94 iter != tokens.end(); ++iter) { 95 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 96 const std::string &MenuName = CurrentTrait.getMenuName(); 96 97 MenuNames_from_ActionRegistry.insert(MenuName); 97 98 } … … 105 106 } 106 107 107 108 108 for (std::set <std::string>::const_iterator ARiter = MenuNames_from_ActionRegistry.begin(); 109 109 ARiter != MenuNames_from_ActionRegistry.end(); -
src/UIElements/CommandLineUI/unittests/CommandLineParser_ActionRegistry_ConsistencyUnitTest.hpp
r1d3563 r690741 19 19 class CommandLineParser; 20 20 21 namespace MoleCuilder {22 class ActionRegistry;23 }24 25 21 /********************************************** Test classes **************************************/ 26 22 … … 37 33 38 34 private: 39 MoleCuilder::ActionRegistry *AR;40 35 CommandLineParser *CLP; 41 36 }; -
src/UIElements/Menu/Menu.cpp
r1d3563 r690741 122 122 { 123 123 // go through all actions and add those belonging to this menu 124 ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry(); 125 for (ActionRegistry::const_iterator iter = AR.getBeginIter(); 126 iter != AR.getEndIter(); 127 ++iter) { 128 const std::string &MenuName = iter->second->Traits.getMenuName(); 124 ActionQueue &AQ = ActionQueue::getInstance(); 125 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 126 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 127 iter != tokens.end(); ++iter) { 128 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 129 const std::string &MenuName = CurrentTrait.getMenuName(); 129 130 if (MenuName == name) { 130 const std::string &ActionName = iter->first;131 const std::string &ActionName = *iter; 131 132 Menu::addAction(ActionName); 132 133 } -
src/UIElements/Menu/MenuDescription.cpp
r1d3563 r690741 158 158 // std::multimap <std::string, std::string> result; 159 159 // 160 // ActionRegistry &AR = ActionQueue::getInstance().getActionRegistry()(); 161 // for (ActionRegistry::const_iterator iter = AR.getBeginIter();iter != AR.getEndIter();++iter) { 162 // std::cout << "Inserting " << (iter->second)->getName() << " into menu " << (iter->second)->Traits.getMenuName() << std::endl; 163 // result.insert( std::pair<std::string, std::string> ((iter->second)->Traits.getMenuName(), (iter->second)->getName())); 160 // ActionQueue &AQ = ActionQueue::getInstance(); 161 // ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 162 // for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 163 // iter != tokens.end(); ++iter) { 164 // const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 165 // std::cout << "Inserting " << *iter << " into menu " << CurrentTrait.getMenuName() << std::endl; 166 // result.insert( std::pair<std::string, std::string> (CurrentTrait.getMenuName(), *iter)); 164 167 // } 165 168 // // TODO: MenuPosition is not yet realized. -
src/UIElements/Menu/unittests/MenuDescription_ActionRegistry_ConsistencyUnitTest.cpp
r1d3563 r690741 60 60 void MenuDescription_ActionRegistry_ConsistencyTest::setUp() 61 61 { 62 AR = &ActionQueue::getInstance().getActionRegistry(); 63 }; 62 } 64 63 65 64 … … 72 71 World::purgeInstance(); 73 72 WorldTime::purgeInstance(); 74 } ;73 } 75 74 76 75 /** UnitTest for consistency. … … 82 81 83 82 // go through all Actions and gather menu names 84 for (ActionRegistry::const_iterator iter = AR->getBeginIter(); 85 iter != AR->getEndIter(); 86 ++iter) { 87 const std::string &MenuName = (iter->second)->Traits.getMenuName(); 83 ActionQueue &AQ = ActionQueue::getInstance(); 84 ActionQueue::ActionTokens_t tokens = AQ.getListOfActions(); 85 for (ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 86 iter != tokens.end(); ++iter) { 87 const ActionTrait &CurrentTrait = AQ.getActionsTrait(*iter); 88 const std::string &MenuName = CurrentTrait.getMenuName(); 88 89 MenuNames_from_ActionRegistry.insert(MenuName); 89 90 } -
src/UIElements/Menu/unittests/MenuDescription_ActionRegistry_ConsistencyUnitTest.hpp
r1d3563 r690741 19 19 #include "UIElements/Menu/MenuDescription.hpp" 20 20 21 namespace MoleCuilder {22 class ActionRegistry;23 }24 25 21 /********************************************** Test classes **************************************/ 26 22 … … 38 34 private: 39 35 MenuDescription md; 40 MoleCuilder::ActionRegistry *AR;41 36 }; 42 37 -
src/cleanUp.cpp
r1d3563 r690741 143 143 void printTimings() 144 144 { 145 const MoleCuilder::Action Registry &AR = MoleCuilder::ActionQueue::getInstance().getActionRegistry();145 const MoleCuilder::ActionQueue::ActionTokens_t tokens = MoleCuilder::ActionQueue::getInstance().getListOfActions(); 146 146 const Chronos &Chron = Chronos::getInstance(); 147 147 if (!DoLog(2)) { 148 148 std::cout << "(Non-zero) Times used per Action [seconds]:" << std::endl; 149 for (MoleCuilder::ActionRegistry::const_iterator iter = AR.getBeginIter(); iter != AR.getEndIter(); ++iter) 150 if (Chron.getTime(iter->first) != 0.) { // dont give if action has not been used 151 std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << iter->first; 149 for (MoleCuilder::ActionQueue::ActionTokens_t::const_iterator iter = tokens.begin(); 150 iter != tokens.end(); ++iter) 151 if (Chron.getTime(*iter) != 0.) { // dont give if action has not been used 152 std::cout << " " << setiosflags(ios::left) << setw(24) << setfill('.') << *iter; 152 153 std::cout << setiosflags(ios::left) 153 154 #ifdef HAVE_SYS_TIMES_H … … 156 157 << setprecision(9) 157 158 #endif 158 << fixed << Chron.getTime( iter->first) << std::endl;159 << fixed << Chron.getTime(*iter) << std::endl; 159 160 } 160 161 } else {
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